CACHE #3 own-selection protocol: hit-rate limitation corrected
Limitations of CACHE #3 Round 1 own-selection outcome per workflow (Herasymenko et al. 2026 Table S8)
["Each workflow selected its own compounds, so the workflows are not compared on a common library in this arm. The merged-library arm is the comparison on one library.", "No hit rate is printed for this arm. Compounds tested (column D) and Hits (column E) are printed as separate counts and this batch records both without dividing them, because a derived rate would be a computation rather than a printed value. The article does publish a per-workflow rate, but for the merged-library arm: columns R, S and T of sheet S8 are stored as the formulas 1000*N/L, 1000*O/L and R+S, that is confirmed Tier 1 or Tier 2 hits per 1000 compounds predicted active.", "Workflow numbers of compounds tested range from 41 to 99, so the counts rest on small and unequal denominators.", "The activity and novelty scores are committee judgements, not measurements, and the per-compound scoring matrix (sheet S7) was not extracted.", "Participants are named for only 10 of the 23 workflows in this sheet; the rest are anonymous.", "Twelve of the 23 workflows returned no confirmed hit, and the workbook stores 0 for their score of best hit, aggregated score, top novelty score and top score of novel hits. A 0 in those columns means there was no hit to score, not a hit scored at zero; each affected result carries that warning.", "The article is internally inconsistent about Figure 6. The Results section 'Trends and Strategies from the Best Performing Computational Workflows' calls panels a, b and c 'top scoring compounds, top hit rates, and top selections from the merged Round 1 library', while the Figure 6 caption calls panel b 'the aggregated score of all Round 1 hits' and panel c the normalised Tier 1 and Tier 2 counts. The body text therefore calls an aggregated score a hit rate. No value in this batch is taken from Figure 6; every value is from sheet S8."]
The protocol said the source prints no per-workflow hit rate. It prints none for this arm, but columns R, S and T of sheet S8 are per-workflow rates for the merged-library arm.
Evidence
Source checking verifies the cited claim or transcription. It does not establish independent reproduction.
Evidence table
Inspect claims, sources and review details
Trace each statement to its source and review. A context-only reference supports the record generally; it does not verify an individual field. Source checking does not reproduce an experiment.
One row per statement and cited source. Multiple citations are not independent evaluations. Shared locators are labelled explicitly.
14 evidence rows matching the loaded filters
| Property and statement | Original source and location | Review and provenance |
|---|---|---|
| Claimed field attributes.limitations Context-only references | Herasymenko et al. 2026, J Chem Inf Model (CACHE Challenge #3, Europe PMC full text) Sheet 'S8' columns D, E, R, S and T and their stored formulas Shared locator for this statement’s cited sources; not a separate locator for each citation. Version: PMC12892310 (J Chem Inf Model, published 2026-01-21) | not individually reviewed No individual claim review recorded Audit detailsField: Source artifact SHA-256: Hash scope: Hash scope not separately documented; inspect source record |
| Claimed field attributes.limitations Context-only references | Herasymenko et al. 2026, CACHE Challenge #3, Supporting Information workbook ci5c02441_si_002.xlsx Sheet 'S8' columns D, E, R, S and T and their stored formulas Shared locator for this statement’s cited sources; not a separate locator for each citation. Version: ci5c02441_si_002.xlsx, member of the Europe PMC supplementary archive of PMC12892310 | not individually reviewed No individual claim review recorded Audit detailsField: Source artifact SHA-256: Hash scope: artifact_sha256 is the SHA-256 of the member file ci5c02441_si_002.xlsx. The Europe PMC supplementaryFiles endpoint assembles a zip per request, so the archive's own hash is not stable; the member file's bytes are. The publisher's direct supplement URL (https://pubs.acs.org/doi/suppl/10.1021/acs.jcim.5c02441/suppl_file/ci5c02441_si_002.xlsx) returned HTTP 403 on 2026-10-22. Archive member: ci5c02441_si_002.xlsx |
| Previous value ["Each workflow selected its own compounds, so the workflows are not compared on a common library in this arm. The merged-library arm is the comparison on one library.", "The source prints no per-workflow hit rate. Compounds tested and Hits are printed separately; this batch records both counts and does not divide them, because the article defines its hit rate as confirmed actives divided by compounds predicted active, which is the merged-library denominator rather than this one.", "Workflow numbers of compounds tested range from 41 to 99, so the counts rest on small and unequal denominators.", "The activity and novelty scores are committee judgements, not measurements, and the per-compound scoring matrix (sheet S7) was not extracted.", "Participants are named for only 10 of the 23 workflows in this sheet; the rest are anonymous."] Context-only references | Herasymenko et al. 2026, J Chem Inf Model (CACHE Challenge #3, Europe PMC full text) Sheet 'S8' columns D, E, R, S and T and their stored formulas Shared locator for this statement’s cited sources; not a separate locator for each citation. Version: PMC12892310 (J Chem Inf Model, published 2026-01-21) | not individually reviewed No individual claim review recorded Audit detailsField: Source artifact SHA-256: Hash scope: Hash scope not separately documented; inspect source record |
| Previous value ["Each workflow selected its own compounds, so the workflows are not compared on a common library in this arm. The merged-library arm is the comparison on one library.", "The source prints no per-workflow hit rate. Compounds tested and Hits are printed separately; this batch records both counts and does not divide them, because the article defines its hit rate as confirmed actives divided by compounds predicted active, which is the merged-library denominator rather than this one.", "Workflow numbers of compounds tested range from 41 to 99, so the counts rest on small and unequal denominators.", "The activity and novelty scores are committee judgements, not measurements, and the per-compound scoring matrix (sheet S7) was not extracted.", "Participants are named for only 10 of the 23 workflows in this sheet; the rest are anonymous."] Context-only references | Herasymenko et al. 2026, CACHE Challenge #3, Supporting Information workbook ci5c02441_si_002.xlsx Sheet 'S8' columns D, E, R, S and T and their stored formulas Shared locator for this statement’s cited sources; not a separate locator for each citation. Version: ci5c02441_si_002.xlsx, member of the Europe PMC supplementary archive of PMC12892310 | not individually reviewed No individual claim review recorded Audit detailsField: Source artifact SHA-256: Hash scope: artifact_sha256 is the SHA-256 of the member file ci5c02441_si_002.xlsx. The Europe PMC supplementaryFiles endpoint assembles a zip per request, so the archive's own hash is not stable; the member file's bytes are. The publisher's direct supplement URL (https://pubs.acs.org/doi/suppl/10.1021/acs.jcim.5c02441/suppl_file/ci5c02441_si_002.xlsx) returned HTTP 403 on 2026-10-22. Archive member: ci5c02441_si_002.xlsx |
| Source location Sheet 'S8' columns D, E, R, S and T and their stored formulas Context-only references | Herasymenko et al. 2026, J Chem Inf Model (CACHE Challenge #3, Europe PMC full text) Sheet 'S8' columns D, E, R, S and T and their stored formulas Shared locator for this statement’s cited sources; not a separate locator for each citation. Version: PMC12892310 (J Chem Inf Model, published 2026-01-21) | not individually reviewed No individual claim review recorded Audit detailsField: Source artifact SHA-256: Hash scope: Hash scope not separately documented; inspect source record |
| Source location Sheet 'S8' columns D, E, R, S and T and their stored formulas Context-only references | Herasymenko et al. 2026, CACHE Challenge #3, Supporting Information workbook ci5c02441_si_002.xlsx Sheet 'S8' columns D, E, R, S and T and their stored formulas Shared locator for this statement’s cited sources; not a separate locator for each citation. Version: ci5c02441_si_002.xlsx, member of the Europe PMC supplementary archive of PMC12892310 | not individually reviewed No individual claim review recorded Audit detailsField: Source artifact SHA-256: Hash scope: artifact_sha256 is the SHA-256 of the member file ci5c02441_si_002.xlsx. The Europe PMC supplementaryFiles endpoint assembles a zip per request, so the archive's own hash is not stable; the member file's bytes are. The publisher's direct supplement URL (https://pubs.acs.org/doi/suppl/10.1021/acs.jcim.5c02441/suppl_file/ci5c02441_si_002.xlsx) returned HTTP 403 on 2026-10-22. Archive member: ci5c02441_si_002.xlsx |
| Claimed value ["Each workflow selected its own compounds, so the workflows are not compared on a common library in this arm. The merged-library arm is the comparison on one library.", "No hit rate is printed for this arm. Compounds tested (column D) and Hits (column E) are printed as separate counts and this batch records both without dividing them, because a derived rate would be a computation rather than a printed value. The article does publish a per-workflow rate, but for the merged-library arm: columns R, S and T of sheet S8 are stored as the formulas 1000*N/L, 1000*O/L and R+S, that is confirmed Tier 1 or Tier 2 hits per 1000 compounds predicted active.", "Workflow numbers of compounds tested range from 41 to 99, so the counts rest on small and unequal denominators.", "The activity and novelty scores are committee judgements, not measurements, and the per-compound scoring matrix (sheet S7) was not extracted.", "Participants are named for only 10 of the 23 workflows in this sheet; the rest are anonymous.", "Twelve of the 23 workflows returned no confirmed hit, and the workbook stores 0 for their score of best hit, aggregated score, top novelty score and top score of novel hits. A 0 in those columns means there was no hit to score, not a hit scored at zero; each affected result carries that warning.", "The article is internally inconsistent about Figure 6. The Results section 'Trends and Strategies from the Best Performing Computational Workflows' calls panels a, b and c 'top scoring compounds, top hit rates, and top selections from the merged Round 1 library', while the Figure 6 caption calls panel b 'the aggregated score of all Round 1 hits' and panel c the normalised Tier 1 and Tier 2 counts. The body text therefore calls an aggregated score a hit rate. No value in this batch is taken from Figure 6; every value is from sheet S8."] Context-only references | Herasymenko et al. 2026, J Chem Inf Model (CACHE Challenge #3, Europe PMC full text) Sheet 'S8' columns D, E, R, S and T and their stored formulas Shared locator for this statement’s cited sources; not a separate locator for each citation. Version: PMC12892310 (J Chem Inf Model, published 2026-01-21) | not individually reviewed No individual claim review recorded Audit detailsField: Source artifact SHA-256: Hash scope: Hash scope not separately documented; inspect source record |
| Claimed value ["Each workflow selected its own compounds, so the workflows are not compared on a common library in this arm. The merged-library arm is the comparison on one library.", "No hit rate is printed for this arm. Compounds tested (column D) and Hits (column E) are printed as separate counts and this batch records both without dividing them, because a derived rate would be a computation rather than a printed value. The article does publish a per-workflow rate, but for the merged-library arm: columns R, S and T of sheet S8 are stored as the formulas 1000*N/L, 1000*O/L and R+S, that is confirmed Tier 1 or Tier 2 hits per 1000 compounds predicted active.", "Workflow numbers of compounds tested range from 41 to 99, so the counts rest on small and unequal denominators.", "The activity and novelty scores are committee judgements, not measurements, and the per-compound scoring matrix (sheet S7) was not extracted.", "Participants are named for only 10 of the 23 workflows in this sheet; the rest are anonymous.", "Twelve of the 23 workflows returned no confirmed hit, and the workbook stores 0 for their score of best hit, aggregated score, top novelty score and top score of novel hits. A 0 in those columns means there was no hit to score, not a hit scored at zero; each affected result carries that warning.", "The article is internally inconsistent about Figure 6. The Results section 'Trends and Strategies from the Best Performing Computational Workflows' calls panels a, b and c 'top scoring compounds, top hit rates, and top selections from the merged Round 1 library', while the Figure 6 caption calls panel b 'the aggregated score of all Round 1 hits' and panel c the normalised Tier 1 and Tier 2 counts. The body text therefore calls an aggregated score a hit rate. No value in this batch is taken from Figure 6; every value is from sheet S8."] Context-only references | Herasymenko et al. 2026, CACHE Challenge #3, Supporting Information workbook ci5c02441_si_002.xlsx Sheet 'S8' columns D, E, R, S and T and their stored formulas Shared locator for this statement’s cited sources; not a separate locator for each citation. Version: ci5c02441_si_002.xlsx, member of the Europe PMC supplementary archive of PMC12892310 | not individually reviewed No individual claim review recorded Audit detailsField: Source artifact SHA-256: Hash scope: artifact_sha256 is the SHA-256 of the member file ci5c02441_si_002.xlsx. The Europe PMC supplementaryFiles endpoint assembles a zip per request, so the archive's own hash is not stable; the member file's bytes are. The publisher's direct supplement URL (https://pubs.acs.org/doi/suppl/10.1021/acs.jcim.5c02441/suppl_file/ci5c02441_si_002.xlsx) returned HTTP 403 on 2026-10-22. Archive member: ci5c02441_si_002.xlsx |
| Description The protocol said the source prints no per-workflow hit rate. It prints none for this arm, but columns R, S and T of sheet S8 are per-workflow rates for the merged-library arm. Context-only references | Herasymenko et al. 2026, J Chem Inf Model (CACHE Challenge #3, Europe PMC full text) Sheet 'S8' columns D, E, R, S and T and their stored formulas Shared locator for this statement’s cited sources; not a separate locator for each citation. Version: PMC12892310 (J Chem Inf Model, published 2026-01-21) | not individually reviewed No individual claim review recorded Audit detailsField: Source artifact SHA-256: Hash scope: Hash scope not separately documented; inspect source record |
| Description The protocol said the source prints no per-workflow hit rate. It prints none for this arm, but columns R, S and T of sheet S8 are per-workflow rates for the merged-library arm. Context-only references | Herasymenko et al. 2026, CACHE Challenge #3, Supporting Information workbook ci5c02441_si_002.xlsx Sheet 'S8' columns D, E, R, S and T and their stored formulas Shared locator for this statement’s cited sources; not a separate locator for each citation. Version: ci5c02441_si_002.xlsx, member of the Europe PMC supplementary archive of PMC12892310 | not individually reviewed No individual claim review recorded Audit detailsField: Source artifact SHA-256: Hash scope: artifact_sha256 is the SHA-256 of the member file ci5c02441_si_002.xlsx. The Europe PMC supplementaryFiles endpoint assembles a zip per request, so the archive's own hash is not stable; the member file's bytes are. The publisher's direct supplement URL (https://pubs.acs.org/doi/suppl/10.1021/acs.jcim.5c02441/suppl_file/ci5c02441_si_002.xlsx) returned HTTP 403 on 2026-10-22. Archive member: ci5c02441_si_002.xlsx |
Sources and history
Release 2026-10-22-1b7cf027e4f6 · Record review: source checked
2 source records and release history
- Herasymenko et al. 2026, CACHE Challenge #3, Supporting Information workbook ci5c02441_si_002.xlsx · Original source · ci5c02441_si_002.xlsx, member of the Europe PMC supplementary archive of PMC12892310
- Herasymenko et al. 2026, J Chem Inf Model (CACHE Challenge #3, Europe PMC full text) · Original source · PMC12892310 (J Chem Inf Model, published 2026-01-21)
Technical metadata and extraction receipts
Stable ID: metadata-correction-403344a3423789962d3a
- areas
- molecular-interactions
- contexts
- research
- field
- attributes.limitations
- previous value
- ["Each workflow selected its own compounds, so the workflows are not compared on a common library in this arm. The merged-library arm is the comparison on one library.", "The source prints no per-workflow hit rate. Compounds tested and Hits are printed separately; this batch records both counts and does not divide them, because the article defines its hit rate as confirmed actives divided by compounds predicted active, which is the merged-library denominator rather than this one.", "Workflow numbers of compounds tested range from 41 to 99, so the counts rest on small and unequal denominators.", "The activity and novelty scores are committee judgements, not measurements, and the per-compound scoring matrix (sheet S7) was not extracted.", "Participants are named for only 10 of the 23 workflows in this sheet; the rest are anonymous."]
- value
- ["Each workflow selected its own compounds, so the workflows are not compared on a common library in this arm. The merged-library arm is the comparison on one library.", "No hit rate is printed for this arm. Compounds tested (column D) and Hits (column E) are printed as separate counts and this batch records both without dividing them, because a derived rate would be a computation rather than a printed value. The article does publish a per-workflow rate, but for the merged-library arm: columns R, S and T of sheet S8 are stored as the formulas 1000*N/L, 1000*O/L and R+S, that is confirmed Tier 1 or Tier 2 hits per 1000 compounds predicted active.", "Workflow numbers of compounds tested range from 41 to 99, so the counts rest on small and unequal denominators.", "The activity and novelty scores are committee judgements, not measurements, and the per-compound scoring matrix (sheet S7) was not extracted.", "Participants are named for only 10 of the 23 workflows in this sheet; the rest are anonymous.", "Twelve of the 23 workflows returned no confirmed hit, and the workbook stores 0 for their score of best hit, aggregated score, top novelty score and top score of novel hits. A 0 in those columns means there was no hit to score, not a hit scored at zero; each affected result carries that warning.", "The article is internally inconsistent about Figure 6. The Results section 'Trends and Strategies from the Best Performing Computational Workflows' calls panels a, b and c 'top scoring compounds, top hit rates, and top selections from the merged Round 1 library', while the Figure 6 caption calls panel b 'the aggregated score of all Round 1 hits' and panel c the normalised Tier 1 and Tier 2 counts. The body text therefore calls an aggregated score a hit rate. No value in this batch is taken from Figure 6; every value is from sheet S8."]
- source locator
- Sheet 'S8' columns D, E, R, S and T and their stored formulas
- review
- method: scope-review; independent-cell-check; reviewer: claude; reviewer note: Claude review agent, independent of the extraction agent; no human review claimed; date: 2026-10-22; method note: Read columns D and E and the stored formulas of columns R, S and T.; note: Correction found by the independent review pass of batch use-case-coverage-hitdisc-20261022. The previous value is kept here.; receipt: data/omics/use-case-coverage-hitdisc-20261022/review.json